bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium

C165H149F12O14S13+7 — CID 158833506

IUPACbis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H19S2.2C21H21S.C20H19S.2C19H17OS.C19H17S.C18H15S.4CHF3O3S/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;2*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*2-1(3,4)8(5,6)7/h1-19H;2*4-15H,1-3H3;3-15H,1-2H3;2*2-15H,1H3;2-15H,1H3;1-15H;4*(H,5,6,7)/q8*+1;;;;/p-1
InChIKeyIXIMSIFOVVUVLD-UHFFFAOYSA-M
MW3000.84 g/mol
LogP44.43
Rot. Bonds28

About bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium

bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium (PubChem CID 158833506) has the molecular formula C165H149F12O14S13+7 and a molecular weight of 3000.84 g/mol. Its IUPAC name is bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium.

Molecular Properties

Compound Namebis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium
PubChem CID158833506
Molecular FormulaC165H149F12O14S13+7
Molecular Weight3000.84 g/mol
Exact Mass2997.71
IUPAC Namebis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium
SMILESCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H19S2.2C21H21S.C20H19S.2C19H17OS.C19H17S.C18H15S.4CHF3O3S/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;2*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*2-1(3,4)8(5,6)7/h1-19H;2*4-15H,1-3H3;3-15H,1-2H3;2*2-15H,1H3;2-15H,1H3;1-15H;4*(H,5,6,7)/q8*+1;;;;/p-1
InChIKeyIXIMSIFOVVUVLD-UHFFFAOYSA-M
XLogP44.43
TPSA238.77 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003000.84
LogP ≤ 544.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium with MolForge

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Related Compounds

[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964680
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964743
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964928
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964932
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965037
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21965085
(4-Methoxyphenyl)-diphenylsulfanium;4-(trifluoromethyl)benzenesulfonate
CID 22057196
2,4-Bis(trifluoromethyl)benzenesulfonate;[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 22057214
(4-Methoxyphenyl)-diphenylsulfanium;2-(trifluoromethyl)benzenesulfonate
CID 22057316

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium?
The IUPAC name of bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium (CID 158833506) is bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium.
What is the SMILES notation for bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium?
The canonical SMILES for bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium is COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium?
The InChIKey is IXIMSIFOVVUVLD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19S2.2C21H21S.C20H19S.2C19H17OS.C19H17S.C18H15S.4CHF3O3S/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-8-12-19(13-9-16)21(18-6-4-3-5-7-18)20-14-10-17(2)11-15-20;2*1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;4*2-1(3,4)8(5,6)7/h1-19H;2*4-15H,1-3H3;3-15H,1-2H3;2*2-15H,1H3;2-15H,1H3;1-15H;4*(H,5,6,7)/q8*+1;;;;/p-1.
What are the key properties of bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium?
bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium has a molecular weight of 3000.84 g/mol, XLogP of 44.43, 28 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)-phenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis((4-methoxyphenyl)-diphenylsulfanium);(4-methylphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(trifluoromethanesulfonic acid);triphenylsulfanium;tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 158833506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).